Information card for entry 4115342

Structure parameters

• Formula: C4 H16 Mn N8 Ni O8
• Calculated formula: C4 H16 Mn N8 Ni O8
• Title of publication: Spin Densities in a Ferromagnetic Bimetallic Chain Compound: Polarized Neutron Diffraction and DFT Calculations
• Authors of publication: Béatrice Gillon; Corine Mathonière; Eliseo Ruiz; Santiago Alvarez; Alain Cousson; Thekkel M. Rajendiran; Olivier Kahn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14433 - 14441
• a: 14.67 ± 0.01 Å
• b: 7.774 ± 0.005 Å
• c: 12.4 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.2 ± 1.7 ų
• Ambient diffraction temperature: 20 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.055651
• Weighted residual factors for significantly intense reflections: 0.042638
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8308 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No